(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one

C36H34O10 — CID 54583499

IUPAC(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one
SMILESCOc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(-c3cc(/C=C/C(=O)c4c(O)cc(OC)cc4OC)ccc3OC)c2)c(OC)c1
InChIInChI=1S/C36H34O10/c1-41-23-17-29(39)35(33(19-23)45-5)27(37)11-7-21-9-13-31(43-3)25(15-21)26-16-22(10-14-32(26)44-4)8-12-28(38)36-30(40)18-24(42-2)20-34(36)46-6/h7-20,39-40H,1-6H3/b11-7+,12-8+
InChIKeyHACAABZTWQNIFA-MKICQXMISA-N
MW626.66 g/mol
LogP6.61
Rot. Bonds13

About (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one

(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one (PubChem CID 54583499) has the molecular formula C36H34O10 and a molecular weight of 626.66 g/mol. Its IUPAC name is (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one
PubChem CID54583499
Molecular FormulaC36H34O10
Molecular Weight626.66 g/mol
Exact Mass626.22
IUPAC Name(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one
SMILESCOc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(-c3cc(/C=C/C(=O)c4c(O)cc(OC)cc4OC)ccc3OC)c2)c(OC)c1
InChIInChI=1S/C36H34O10/c1-41-23-17-29(39)35(33(19-23)45-5)27(37)11-7-21-9-13-31(43-3)25(15-21)26-16-22(10-14-32(26)44-4)8-12-28(38)36-30(40)18-24(42-2)20-34(36)46-6/h7-20,39-40H,1-6H3/b11-7+,12-8+
InChIKeyHACAABZTWQNIFA-MKICQXMISA-N
XLogP6.61
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.66
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one with MolForge

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Related Compounds

CID 5280961
CID 5280961
CID 15797
CID 15797
CID 4632
CID 4632
CID 5280378
CID 5280378
CID 5281708
CID 5281708
CID 5281807
CID 5281807
CID 11092
CID 11092
CID 5280373
CID 5280373
CID 5281600
CID 5281600
CID 8569
CID 8569
CID 10639
CID 10639
CID 5280441
CID 5280441

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one (CID 54583499) is (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one is COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(-c3cc(/C=C/C(=O)c4c(O)cc(OC)cc4OC)ccc3OC)c2)c(OC)c1.
What is the InChIKey of (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one?
The InChIKey is HACAABZTWQNIFA-MKICQXMISA-N. The full InChI is InChI=1S/C36H34O10/c1-41-23-17-29(39)35(33(19-23)45-5)27(37)11-7-21-9-13-31(43-3)25(15-21)26-16-22(10-14-32(26)44-4)8-12-28(38)36-30(40)18-24(42-2)20-34(36)46-6/h7-20,39-40H,1-6H3/b11-7+,12-8+.
What are the key properties of (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one?
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one has a molecular weight of 626.66 g/mol, XLogP of 6.61, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-[5-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-en-1-one is sourced from PubChem (CID 54583499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).